1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone

C15H18N4O2 — CID 155790705

IUPAC1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](Oc2ccc(-c3ccn[nH]3)nc2)C1
InChIInChI=1S/C15H18N4O2/c1-11(20)19-8-2-3-13(10-19)21-12-4-5-14(16-9-12)15-6-7-17-18-15/h4-7,9,13H,2-3,8,10H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyBGXFGYZGXIXTCT-ZDUSSCGKSA-N
MW286.33 g/mol
LogP1.86
Rot. Bonds3

About 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone

1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone (PubChem CID 155790705) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone
PubChem CID155790705
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](Oc2ccc(-c3ccn[nH]3)nc2)C1
InChIInChI=1S/C15H18N4O2/c1-11(20)19-8-2-3-13(10-19)21-12-4-5-14(16-9-12)15-6-7-17-18-15/h4-7,9,13H,2-3,8,10H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyBGXFGYZGXIXTCT-ZDUSSCGKSA-N
XLogP1.86
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone (CID 155790705) is 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](Oc2ccc(-c3ccn[nH]3)nc2)C1.
What is the InChIKey of 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone?
The InChIKey is BGXFGYZGXIXTCT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(20)19-8-2-3-13(10-19)21-12-4-5-14(16-9-12)15-6-7-17-18-15/h4-7,9,13H,2-3,8,10H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone?
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone has a molecular weight of 286.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 155790705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).